SCHEMBL30452750

SCHEMBL30452750

COC(=O)C1(NC(=O)c2ncc(-c3cccc(Cl)c3)c(C)c2OCc2ccccc2)COC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPK10 P53779 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
EGLN1 Q9GZT9 3/20 0.36
VEGFA P15692 2/20 0.36
FLT1 P17948 2/20 0.36
EGLN3 Q9H6Z9 2/20 0.36
CTSA P10619 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
PTGER1 P34995 5/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24257575 1.00 ADORA1 (0.37) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL24257587 0.91 LPAR1 (0.39) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL30453562 0.91 LPAR1 (0.39) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL24257583 0.89 GABRA5 (0.41) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL30453138 0.86 GPR119 (0.41) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL24257807 0.86 GPR119 (0.41) ADORA1MAPK1MAPK10GPR119EGLN1
SCHEMBL30546845 0.84 EGLN1 (0.41) ADORA1EGLN1VEGFAFLT1EGLN3
SCHEMBL24257527 0.84 EGLN1 (0.41) ADORA1EGLN1VEGFAFLT1EGLN3
SCHEMBL24257584 0.83 MAPK1 (0.39) ADORA1MAPK1MAPK10EGLN1VEGFA
SCHEMBL24257585 0.80 PTGER1 (0.47) ADORA1MAPK1MAPK10GPR119PTGER1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670131-A PHD inhibitor compounds, compositions, and methods of use 阿克比治疗有限公司 2023-08-29 CN disclosed
EP-4196466-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Akebia Therapeutics Inc. (US) 2023-06-21 EP disclosed